CAS RN: 133992-69-5
2-ACETYLAMINO-3-CYCLOPROPYLPROPIONIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251116 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS133992-69-5
- Purity/Analytical Methods: >99.0%
133992-69-5 / 2-acetamido-3-cyclopropylpropanoic acid
Basic Information
CAS
133992-69-5
Multi CAS
No
Molecular Formula
C8H13NO3
Molecular Weight
171.190000
Exact Mass
171.089543
SMILES
CC(=O)NC(CC1CC1)C(=O)O
InChI
InChI=1S/C8H13NO3/c1-5(10)9-7(8(11)12)4-6-2-3-6/h6-7H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKey
ZVTFPQYGJPTFQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.58
TPSA
66.4
LogP / Solubility
WLOGP
0.38
MLOGP
0.33
XLogP3
0.6
Consensus LogP
0.44
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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